Reaction Details Report a problem with these data
Target
Microtubule-associated proteins 1A/1B light chain 3B
Ligand
BDBM500084
Substrate
n/a
Meas. Tech.
Assay Targeting LC3B
IC50
275±n/a nM
Citation
 Yao, Z; Luo, C; Xie, Y; Yue, L; Wan, W; Zhang, Y; Jiang, H; Chen, K Class of isoindolone-imide ring-1,3-dione-2-ene compounds, composition and use thereof US Patent  US11021457 Publication Date 6/1/2021 
Target
Name:
Microtubule-associated proteins 1A/1B light chain 3B
Synonyms:
Autophagy-related protein LC3 B | Autophagy-related ubiquitin-like modifier LC3 B | MAP1 light chain 3-like protein 2 | MAP1A/MAP1B LC3 B | MAP1A/MAP1B light chain 3 B | MAP1ALC3 | MAP1LC3B | MLP3B_HUMAN | Microtubule-associated protein 1 light chain 3 beta
Type:
Protein
Mol. Mass.:
14691.38
Organism:
Human
Description:
Q9GZQ8
Residue:
125
Sequence:
MPSEKTFKQRRTFEQRVEDVRLIREQHPTKIPVIIERYKGEKQLPVLDKTKFLVPDHVNMSELIKIIRRRLQLNANQAFFLLVNGHSMVSVSTPISEVYESEKDEDGFLYMVYASQETFGMKLSV
  
Inhibitor
Name:
BDBM500084
Synonyms:
US11021457, Compound 91
Type:
Small organic molecule
Emp. Form.:
C36H40N6O7
Mol. Mass.:
668.7388
SMILES:
O=C(CCC(=O)N1CCN(CCNC=C2C(=O)CC(CC2=O)c2ccccc2)CC1)Nc1cccc2C(=O)N(Cc12)C1CCC(=O)NC1=O |(6.79,-15.47,;8.12,-16.24,;8.12,-17.78,;6.79,-18.55,;5.45,-17.78,;5.45,-16.24,;4.12,-18.55,;2.79,-17.78,;1.45,-18.55,;1.45,-20.09,;.12,-20.86,;-1.21,-20.09,;-1.21,-18.55,;-2.55,-17.78,;-2.55,-16.24,;-1.21,-15.47,;.12,-16.24,;-1.21,-13.93,;-2.55,-13.16,;-3.88,-13.93,;-3.88,-15.47,;-5.21,-16.24,;-2.55,-11.62,;-1.21,-10.85,;-1.21,-9.31,;-2.55,-8.54,;-3.88,-9.31,;-3.88,-10.85,;2.79,-20.86,;4.12,-20.09,;9.46,-15.47,;9.46,-13.93,;8.12,-13.16,;8.12,-11.62,;9.46,-10.85,;10.79,-11.62,;12.25,-11.15,;13.02,-9.81,;13.16,-12.39,;12.25,-13.64,;10.79,-13.16,;14.7,-12.39,;15.47,-11.06,;17.01,-11.06,;17.78,-12.39,;19.32,-12.39,;17.01,-13.73,;15.47,-13.73,;14.7,-15.06,)|
Structure:
Search PDB for entries with ligand similarity: